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CHEBI:66012 - herquline B
| Formula | C19H26N2O2 |
| Net Charge | 0 |
| Average Mass | 314.429 |
| Monoisotopic Mass | 314.19943 |
| SMILES | [H][C@@]12CC3=C[C@]([H])(C(=O)CC3)[C@]3([H])C=C(CCC3=O)C[C@@]([H])(CN1)N(C)C2 |
| InChI | InChI=1S/C19H26N2O2/c1-21-11-14-6-12-2-4-18(22)16(8-12)17-9-13(3-5-19(17)23)7-15(21)10-20-14/h8-9,14-17,20H,2-7,10-11H2,1H3/t14-,15-,16-,17-/m0/s1 |
| InChIKey | IKEHAWAEPHQJSM-QAETUUGQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium herquei (ncbitaxon:69774) | |||
| - | PubMed (8609085) | Strain: FG 37 | |
| - | PubMed (500499) | Strain: Fg-372 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | platelet aggregation inhibitor A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| herquline B (CHEBI:66012) has role Penicillium metabolite (CHEBI:76964) |
| herquline B (CHEBI:66012) has role platelet aggregation inhibitor (CHEBI:50427) |
| herquline B (CHEBI:66012) is a alkaloid (CHEBI:22315) |
| herquline B (CHEBI:66012) is a cyclic ketone (CHEBI:3992) |
| herquline B (CHEBI:66012) is a organic heterotetracyclic compound (CHEBI:38163) |
| herquline B (CHEBI:66012) is a secondary amino compound (CHEBI:50995) |
| herquline B (CHEBI:66012) is a tertiary amino compound (CHEBI:50996) |
| herquline B (CHEBI:66012) is conjugate base of herquline B(1+) (CHEBI:146143) |
| Incoming Relation(s) |
| herquline B(1+) (CHEBI:146143) is conjugate acid of herquline B (CHEBI:66012) |
| Synonyms | Source |
|---|---|
| (1S,7S,8S,14S)-15-methyl-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione | IUPAC |
| (−)-herquline B | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7436484 | Reaxys |
| CAS:174423-44-0 | ChEBI |
| Citations |
|---|